Details of the Drug

General Information of Drug (ID: DMSIGAB)

Drug Name

L-alanosine

Synonyms

SDX-102

Indication

Disease Entry	ICD 11	Status	REF
Brain cancer	2A00	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

149.11

Logarithm of the Partition Coefficient (xlogp)

-3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C3H7N3O4
IUPAC Name: (Z)-[(2S)-2-amino-2-carboxyethyl]-hydroxyimino-oxidoazanium
Canonical SMILES: C([C@@H](C(=O)O)N)/[N+](=N/O)/[O-]
InChI: InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,9H,1,4H2,(H,7,8)/b6-5-/t2-/m0/s1
InChIKey: ZGNLFUXWZJGETL-YUSKDDKASA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenine synthesis (Adeni synth)	TTEWTCR	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00062283) Alanosine in Treating Patients With Cancer. U.S. National Institutes of Health.
2	Circadian pharmacology of L-alanosine (SDX-102) in mice. Mol Cancer Ther. 2006 Feb;5(2):337-46.